Methyl 4-bromothiophene-2-carboxylate

C₆H₅BrO₂SCAS 62224-16-2221.07 g/mol

Open in Covalent MOL file

Aryl halide Ester

Properties

Molecular formula: C₆H₅BrO₂S
Molar mass: 221.07 g/mol
Exact mass: 219.9194 Da
logP: 2.30Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

62224-16-2

SMILES

COC(=O)C1=CC(=CS1)Br

InChIKey

HPZXLAIWCQLSAR-UHFFFAOYSA-N

InChI

InChI=1S/C6H5BrO2S/c1-9-6(8)5-2-4(7)3-10-5/h2-3H,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with Methyl 4-bromothiophene-2-carboxylate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-(4-Bromo-2-thienyl)ethan-1-one7209-11-256 % similar Methyl 3,5-dibromobenzoate51329-15-855 % similar Dimethyl 5-bromoisophthalate51760-21-555 % similar 4-Bromo-2-thiophenecarboxylic acid16694-18-151 % similar Methyl 5-bromobenzo[b]thiophene-2-carboxylate7312-11-051 % similar Dimethyl 4-bromopyridine-2,6-dicarboxylate162102-79-650 % similar Methyl 3-bromobenzoate618-89-349 % similar Methyl 4-bromobenzoate619-42-149 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Methyl 3-bromothiophene-2-carboxylate26137-08-6 Methyl 5-bromothiophene-2-carboxylate62224-19-5

Elsewhere

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